4-(morpholin-4-yl)-3-(pyrrolidine-1-carbonyl)aniline

• ChemBase ID: 17640
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: c1(c(C(=O)N2CCCC2)cc(cc1)N)N1CCOCC1
• Canonical SMILES: Nc1ccc(c(c1)C(=O)N1CCCC1)N1CCOCC1
• InChI: InChI=1S/C15H21N3O2/c16-12-3-4-14(17-7-9-20-10-8-17)13(11-12)15(19)18-5-1-2-6-18/h3-4,11H,1-2,5-10,16H2
• InChIKey: WATNYTVECCSKOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)-3-(pyrrolidine-1-carbonyl)aniline
• IUPAC Traditional name: 4-(morpholin-4-yl)-3-(pyrrolidine-1-carbonyl)aniline
• Synonyms: (5-Amino-2-morpholin-4-yl-phenyl)-pyrrolidin-1-yl-methanone

Database IDs

• MDL Number: MFCD07157170
• PubChem SID: 160980947
• PubChem CID: 3157415

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.664881
• LogD (pH = 7.4): 0.7366559
• Log P: 0.73765314
• Molar Refractivity: 80.6743 cm^3
• Polarizability: 29.415619 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false